Vitas-M small molecule compound
4-[(2Z)-2-{1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl]benzonitrile
Catalog ID
STK070665
SMILES COc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2ccc(cc2)C#N)/C1=O)c1ccc(cc1)[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H17N7O4S MW 523.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H17N7O4S/c1-37-21-12-6-17(7-13-21)22-15-38-26(28-22)32-25(34)24(30-29-19-8-2-16(14-27)3-9-19)23(31-32)18-4-10-20(11-5-18)33(35)36/h2-13,15,29H,1H3/b30-24-InChIKey
VMCASHPLVKIMBY-KRUMMXJUSA-NSynonyms
4((2Z)2(1(4(4METHOXYPHENYL)13THIAZOL2YL)3(4NITROPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZONITRILE
4((2Z)2(1(4(4METHOXYPHENYL)13THIAZOL2YL)3(4NITROPHENYL)5OXOPYRAZOL4YLIDENE)HYDRAZINYL)BENZONITRILE
COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=CC=C(C=C4)C#N)C(=N3)C5=CC=C(C=C5)(N+)(=O)(O)
COc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2ccc(cc2)C#N)C1=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC26H17N7O4Sc1372112617(71321)22153826(2822)3225(34)24(3029198216(1427)3919)23(3132)1841020(11518)33(35)36h2131529H1H3b3024
MFCD01418571
STK070665
ZINC000101469801
ZINC100005919
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